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Properties Data for Chemicals & Materials: Chemicals

Also consult the sources listed under BEST GENERAL SOURCES above

  • Yaws' Critical Property Data for Chemical Engineers and Chemists  UB ONLY

    This database contains almost 450,000 data records covering physical, thermophysical, thermodynamic, transport, safety, and environmental properties for over 5,000 inorganic substances and over 35,000 organic substances. Coverage also includes solutions, refrigerants, mixtures, building and insulation materials, superheated, saturated, and subcooled fluids, and pure metals and alloys. The interactive database format provides granular search accessibility and the means for comparison of properties across a wide array of substances. Most interactive tables contain a plotting tool showing properties as a function of variables such as temperature, pressure, and concentration. The tables contain chemical names, their synonyms, and molecular formulas for enhanced searchability.

  • CRC Handbook of Chemistry and Physics  UB ONLY

    This classic handbook contains hundreds of tables of critically evaluated data. The handbook is revised annually. Coverage includes analytical chemistry, astronomy, atomic and molecular physics, biochemistry, constants and units, electrochemistry, isotopes, fluid properties, geophysics, health and safety information, materials properties, nuclear and particle physics, polymer properties, and thermochemistry.

  • International Critical Tables of Numeric Data and Knovel Critical Tables   UB ONLY

    The International Critical Tables, a classic source for physical properties, has now been extended by Knovel, whose version has over 40 interactive tables. Toegther, these provide access to an enormous amount of critical data on inorganic and organic compounds, and pure substances.

  • ChemSpider  PUBLIC

    ChemSpider, maintained by the Royal Society of Chemistry, extracts a wide range of information about chemicals and materials by crawling the Internet in much the same way Google Scholar extracts scholarly references. The Properties heading provides basic property and safety information, much of it taken from material safety datasheets, as well as predicted properties. The Data Sources heading provides a rich set of physical, biological, metabolic, toxicological, and environmental data in addition to spectral and more safety data. ChemSpider can be searched by names, substructures, CAS Registry Numbers, and InChI identifiers.

  • NIST Chemistry WebBook   PUBLIC

    This database contains high quality, critically reviewed data compiled by the National Institute of Standards and Technology (NIST). Up to 45 thermochemical, thermophysical, and ion energetics properties are available for over 40,000 compounds. Included is reaction thermochemistry data and a variety of spectra, when available. The database is predominantly organic with a few inorganic compounds. To browse other high quality NIST databases, visit the NIST Data Gateway, which provides information for over 94 NIST databases (Note: Some are not free.)

  • Chemical Properties Handbook

    This print resource contains properties data for both organic (C1 to C28) and inorganic (Ag to Zn) substances for a range of temperatures and conditions. Available in print only in the Lockwood Library Science & Engineering Reference Collection, call number REF TP200 .Y35 1999.

  • Gmelin's Handbook of Inorganic and Organometallic Chemistry

    Gmelin is an extensive multi-volume collection of data for inorganic and organometallic compounds. The print volumes are available in the Lockwood Science & Engineering Reference Collection under the call number REF QD 151.G63. The print edition ceased publication at the end of 1997; however, UB's subscription ended in 1993, though a few post-1993 volumes have been acquired. Though many of the volumes are in German, English table of contents and section headings in the page margins are provided for all but the very oldest volumes. An online guide to using Gmelin is available online.

  • Beilstein's Handbook of Organic Chemistry

    Beilstein is an extensive multi-volume collection of data for organic compounds. The print volumes are available in the Lockwood Book Collection (non-circulating) under the call number REF QD 251.B4. The print edition ceased publication after issuing volumes covering the chemical literature up through 1979 for heterocyclic compounds. Literature on acyclic and isocyclic compounds was covered only up through 1959. Literature references back to 1771 are included in this compilation, Volumes published up through 1960 were published in German, then in English thereafter.

  • ChemExper Chemical Directory  PUBLIC

    This web site provides a metasearch of over 70,000 chemicals from more than 20 supplier catalogs. The directory can be searched by registry number, molecular formula, chemical names, physical and chemical characteristics, and substructure. Links are provided to the supplier's web site and to 16,000 Material Safety Data Sheets *MSDS), mostly from Acros. Only the basic properties are directly provided: density, melting point, boiling point, and flash point. However, links to the full-text of the MSDS will usually provide some additional properties.

  • CODATA Fundamental Physical Constants  PUBLIC

    The Committee on Data for Science and Technology (CODATA) has established internationally agreed upon values for key chemical substances. NIST maintains this web page of the 2010 CODATA recommended values. For additional information, see Background Information related to the constants.

  • Cambridge Structural Database   UB ONLY

    Largest repository for small-molecule organic and metal-organic crystal structures; contains over 800,000 entries from x-ray and neutron diffraction analyses. Structures can be retrieved by chemical formula, cell parameters, substructures, similarity, and more.

  • IUPAC-NIST Solubility Database  PUBLIC

    This database contains mutual solubility and liquid-liquid equilibrium data tables for 4,400 systems of up to 4 components. The data is taken from selected volumes of the IUPAC Solubility Data Series originally published by Pergamon Press. The complete set of the print volumes are found under various call numbers in the Lockwood Library Science & Engineering Reference Collection. Simply search the Libraries' Catalog by the series titles, "Solubility Data Series."

  • Yaws' Handbook of Thermodynamic and Physical Properties of Chemical Compounds   UB ONLY

    Covers properties over a range of temperatures for 5,000 organic chemical compounds from C1 to C70 organics. All tables in this book are interactive (live) and most contain live equations for easy calculation and plotting of the properties. Available to UB with our subscription to the Knovel e-books database.

  • Dictionary of Organic Compounds

    Published by Chapman & Hall, this work is available in print in the Lockwood Library Science & Engineering Reference Collection under the call number REF QD251.D49 1982. Basic properties are given for a large number of chemicals.

  • Merck Index

    The most recent edition of the Merck Index is available in print and is shelved in the 1st floor Lockwood Science & Engineering Reference Collection, call number REF RS356.M524.  We also have the earlier 12th edition available as a structure-searchable CD-ROM (2nd floor Lockwood Library Reference area). In addition to basic properties, the Merck Index includes a concise history of the preparation and use of nearly 10,000 chemicals, drugs, and biologicals.

  • TRC Comprehensive Index (1998)   PUBLIC

    On CD-ROM, provides a master index to a little known but superb set of data compilations originally produced by the Texas Engineering Experiment Station's Thermodynamics Research Center, now under the auspices of the U.S. National Institute for Standards and Technology (NIST). The CD-ROM is mounted on a workstation located in the 2nd floor Lockwood Library Reference area.  The index entries reference a number of printed loose-leaf sets in the Lockwood periodical collection. Search the library catalog for "TRC" to determine the exact call number/location for each set (thermodynamics - hydrocarbons, UV spectra data, etc.).

  • WebElements  PUBLIC

    An interactive periodic table containing property data for all known chemical elements.

Engineering Librarian

Erin Rowley's picture
Erin Rowley
108A Lockwood Library
University at Buffalo
Buffalo, NY 14260

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